PHYSICAL REVIEW LETTERS PRL 100, 258701 (2008) week ending 27 JUNE 2008 Bayesian Approach to Network Modularity Jake M. Hofman* Department of Physics, Columbia University, New York, New York 10027, USA Chris H. Wiggins† Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027, USA (Received 23 September 2007; published 23 June 2008) We present an efficient, principled, and interpretable technique for inferring module assignments and for identifying the optimal number of modules in a given network. We show how several existing methods for finding modules can be described as variant, special, or limiting cases of our work, and how the method overcomes the resolution limit problem, accurately recovering the true number of modules. Our approach is based on Bayesian methods for model selection which have been used with success for almost a century, implemented using a variational technique developed only in the past decade. We apply the technique to synthetic and real networks and outline how the method naturally allows selection among competing models. DOI: 10.1103/PhysRevLett.100.258701 PACS numbers: 89.75.Hc, 02.50.r, 02.50.Tt Large-scale networks describing complex interactions among a multitude of objects have found application in a wide array of fields, from biology to social science to information technology [1,2]. In these applications one often wishes to model networks, suppressing the complexity of the full description while retaining relevant information about the structure of the interactions [3]. One such network model groups nodes into modules, or ‘‘communities,’’ with different densities of intra- and interconnectivity for nodes in the same or different modules. We present here a computationally efficient Bayesian framework for inferring the number of modules, model parameters, and module assignments for such a model. The problem of finding modules in networks (or ‘‘community detection’’) has received much attention in the physics literature, wherein many approaches [4,5] focus on optimizing an energy-based cost function with fixed parameters over possible assignments of nodes into modules. The particular cost functions vary, but most compare a given node partitioning to an implicit null model, the two most popular being the configuration model and a limited version of the stochastic block model (SBM) [6,7]. While much effort has gone into how to optimize these cost functions, less attention has been paid to what is to be optimized. In recent studies which emphasize the importance of the latter question it was shown that there are inherent problems with existing approaches regardless of how optimization is performed, wherein parameter choice sets a lower limit on the size of detected modules, referred to as the ‘‘resolution limit’’ problem [8,9]. We extend recent probabilistic treatments of modular networks [10,11] to develop a solution to this problem that relies on inferring distributions over the model parameters, as opposed to asserting parameter values a priori, to determine the modular structure of a given network. The developed techniques are principled, interpretable, compu0031-9007=08=100(25)=258701(4) tationally efficient, and can be shown to generalize several previous studies on module detection. We specify an N-node network by its adjacency matrix A, where Aij 1 if there is an edge between nodes i and j and Aij 0 otherwise, and define i 2 f1; . . . ; Kg to be the unobserved module membership of the ith node. We use a constrained SBM, which consists of a multinomial distribution over module assignments with weights ~ and Bernoulli distributions over edges conpi j tained within and between modules with weights #c ~ and #d pAij 1ji j ; #, ~ pAij 1ji j ; # respectively. In short, to generate a random undirected graph under this model we roll a K-sided die (biased by ) ~ N times to determine module assignments for each of the N nodes; we then flip one of two biased coins (for either intra- or intermodule connection, biased by #c , #d , respectively) for each of the NN 1=2 pairs of nodes to determine if the pair is connected. The extension to directed graphs is straightforward. Using this model, we write the joint probability ~ K pAj; ~ j pA; j ~ ; ~ #; ~ #p ~ ~ (conditional dependence on K has been suppressed below for brevity) as ~ #cc 1 #c c # d 1 #d d pA; j ~ ; ~ # d K Y n ; 1 (1) P where c i>j Aij i ;j is the number of edges conP tained within communities, c i>j 1 Aij i ;j is the number of nonedges contained within communities, P d i>j Aij 1 i ;j is the number of edges between P different communities, d i>j 1 Aij 1 i ;j is the numberPof nonedges between different communities, and n N i1 i ; is the occupation number of the th 258701-1 © 2008 The American Physical Society ~ and regrouping module. Defining H lnpA; j ~ ; ~ # terms by local and global counts, we recover (up to additive constants) a generalized version of [10]: H X JL Aij JG i ;j i>j week ending 27 JUNE 2008 PHYSICAL REVIEW LETTERS PRL 100, 258701 (2008) K X 1 h N X i ; ; (2) i1 a Potts model Hamiltonian with unknown coupling constants JG ln1 #d =1 #c , JL ln#c =#d JG , and chemical potentials h ln . (Note that many previous methods omit a chemical potential term, implicitly assuming equally sized groups.) While previous approaches [4,10] minimize related Hamiltonians as a function of , ~ these methods require that the user specifies values for these unknown constants, which gives rise to the resolution limit problem [8,9]. Our approach, however, uses a disorder-averaged calculation to infer distributions over these parameters, avoiding this issue. To do so, we take beta B and Dirichlet D distributions over #~ and , ~ respectively: ~~ : ~ p#p ~ B#c ; c~0 ; c~0 B#d ; d~0 ; d~0 D; ~ n 0 (3) These conjugate prior distributions are defined on the full range of #~ and , ~ respectively, and their functional forms are preserved when integrated against the model to obtain updated parameter distributions. Their hyperparameters ~~ g act as pseudocounts that augment f~ c0 ; c~0 ; d~0 ; d~0 ; n 0 observed edge counts and occupation numbers. In this framework the problem of module detection can be stated as follows: given an adjacency matrix A, determine the most probable number of modules (i.e., occupied spin states) K argmaxK pKjA and infer posterior distributions over the model parameters (i.e., coupling con~ stants and chemical potentials) p; ~ #jA and the latent module assignments (i.e., spin states) pjA. ~ In the absence of a priori belief about the number of modules, we demand that pK is sufficiently weak that maximizing pKjA / pAjKpK is equivalent to maximizing pAjK, referred to as the evidence. This approach to model selection [12] proposed by the statistical physicist Jeffreys in 1935 [13] balances model fidelity and complexity to determine, in this context, the number of modules. A more physically intuitive interpretation of the evidence is as the disorder-averaged partition function of a spin glass, calculated by marginalizing over the possible quenched values of the parameters #~ and ~ as well as the spin configurations : ~ Z XZ ~ #p ~ d#~ dpA; ~ j ~ ; ~ #p ~ Z pAjK ~ While the #~ and ~ integrals in Eq. (4) can be performed analytically, the remaining sum over module assignments ~ scales as K N and becomes computationally intractable for networks of even modest sizes. To accommodate largescale networks we use a variational approach that is well known to the statistical physics community [14] and has recently found application in the statistics and machine learning literature, commonly termed variational Bayes (VB) [15]. We proceed by taking the negative logarithm of Z and using Gibbs’s inequality: lnZ ln XZ d#~ ~ XZ ~ d#~ Z XZ ~ d#~ Z ~ : de ~ H p#p ~ ~ ~ ; ~ #jK ~ pA; ; dq ~ ; ~ ; ~ # ~ q; ~ ; ~ # ~ ~ ; ~ #jK ~ lnpA; ; dq ~ ; ~ ; ~ # : (6) ~ q; ~ ; ~ # That is, we first multiply and divide by an arbitrary ap~ and then upper-bound proximating distribution q; ~ ; ~ # the log of the expectation by the expectation of the log. We define the quantity to be minimized —the expression in Eq. (6)—as the variational free energy Ffq; Ag, a func~ (Note that the negative log of tional of q; ~ ; ~ #. ~ q; ~ ; ~ # plays the role of a test Hamiltonian in variational approaches in statistical mechanics.) We next choose a factorized approximating distribution ~ q~ q ~ with q~ ~ and q; ~ ; ~ # ~ ~ q ~ #~ # ~ D; ~ n ~ ~ q#~ # qc #c qd #d B#c ; c~ ; c~ B#d ; d ; d~ ; ~ as qi as in mean field theory, we factorize q~ Qi , an N-by-K matrix which gives the probability that the ith node belongs to the th module. Evaluating ~ gives a Ffq; Ag with this functional form for q; ~ ; ~ # ~~ function of the variational parameters f~ c ; c~ ; d~ ; d~ ; ng and matrix elements Qi which can subsequently be minimized by taking the appropriate derivatives. We summarize the resulting iterative algorithm, which provably converges to a local minimum of Ffq; Ag and provides controlled approximations to the evidence ~ pAjK as well as the posteriors p; ~ #jA and pjA: ~ Initialization.—Initialize the N-by-K matrix Q Q0 and set pseudocounts c~ c~0 , c~ c~0 , d~ d~0 , d~ d~0 , and n~ n~0 . Main loop.—Until convergence in Ffq; Ag: (i) Update the expected value of the coupling constants and chemical potentials hJL i ~ c ~ c d~ d~ (7) hJG i d~ d~ d~ ~ c ~ c c~ (8) (4) Z hh i X n~ ~ n ; (5) where x is the digamma function; 258701-2 (9) PHYSICAL REVIEW LETTERS PRL 100, 258701 (2008) (ii) Update the variational distribution over each spin i X Qi / exp hJL iAij hJG i Qj hh i (10) ji P normalized such that Qi 1, for all i; (iii) Update the variational distribution over parameters from the expected counts and pseudocounts n~ hn i n~0 N X Qi n~0 (11) i1 c~ hc i c~0 12 TrQT AQ c~0 (12) ~ ni ~ T Q hc i c~0 c~ hc i c~0 12TrQT uh (13) d~ hd i d~0 M hc i d~0 (14) (15) d~ hd i d~0 C M hc i d~0 ; P where C NN 1=2, M i>j Aij , and u~ is a N-by-1 vector of 1’s; (iv) Calculate the updated optimized free energy Ffq; Ag ln K X N X Zc Zd Z~ Qi lnQi ; ~ Z ~ Z ~ Z 1 i1 c d (16) ~ ~~ is the beta function with a vector-valued where Z~ Bn argument, the partition function for the Dirichlet distribution q~ ~ [likewise for qc #c , qd #d ]. As this provably converges to a local optimum, VB is best implemented with multiple randomly chosen initializations of Q0 to find the global minimum of Ffq; Ag. Convergence of the above algorithm provides the ap~ proximate posterior distributions q~ , ~ q~ , ~ and q#~ # and simultaneously returns K , the number of nonempty modules that maximizes the evidence. As such, one needs only to specify a maximum number of allowed modules and run VB; the probability of occupation for extraneous modules converges to zero as the algorithm runs and the most probable number of occupied modules remains. This is significantly more accurate than other approximate methods, such as Bayesian information criterion (BIC) [16] and integrated classification likelihood (ICL) [17,18], and is less computationally expensive than empirical methods such as cross-validation (CV) [19,20] in which one must perform the associated procedure after fitting the model for each considered value of K. Specifically, BIC and ICL are suggested for single-peaked likelihood functions well approximated by Laplace integration and studied in the large-N limit. For a SBM the first assumption of a single-peaked function is invalidated by the underlying symmetries of the latent variables; i.e., nodes are distinguishable and modules indistinguishable. See Fig. 1 for a comparison of our method with the Girvan- week ending 27 JUNE 2008 Newman modularity [5] in the resolution limit test [8,9], where VB consistently identifies the correct number of modules. [Note that VB is both accurate and fast: it performs competitively in the ‘‘four groups’’ test [21] and scales as OMK. Runtime for the main loop in MATLAB on a 2 GHz laptop is 6 min for N 106 nodes with average degree 16 and K 4.] Furthermore, we note that previous methods in which parameter inference is performed by optimizing a likelihood function via expectation maximization (EM) [11,18] are also special cases of the framework presented here. EM is a limiting case of VB in which one collapses the distributions over parameters to point estimates at the mode of each distribution; however EM is prone to overfitting and cannot be used to determine the appropriate number of modules, as the likelihood of observed data increases with the number of modules in the model. As such, VB performs at least as well as EM while simultaneously providing complexity control [22,23]. In addition to validating the method on synthetic networks, we apply VB to the 2000 NCAA American football schedule shown in Fig. 2 [24]. Each of the 115 nodes represents an individual team and each of the 613 edges represents a game played between the nodes joined. The algorithm correctly identifies the presence of the 12 conferences which comprise the schedule, where teams tend to play more games within than between conferences, making most modules assortative. Of the 115 teams, 105 teams are assigned to their corresponding conferences, with the majority of exceptions belonging to the frequently misclassified independent teams [25]—the only disassortative FIG. 1 (color). Results for the resolution limit test suggested in [8,9]. Shapes and colors correspond to the inferred modules. (Left) Our method, variational Bayes, in which all 15 modules are correctly identified (each clique is assigned a unique color/ shape). (Right) GN modularity optimization, where failure due to the resolution limit is observed—neighboring cliques are incorrectly grouped together. (Bottom) The results of this test implemented for a range of true number of modules, Ktrue , the number of 4-node cliques in the ringlike graph. Note that our method correctly infers the number of communities KVB over the entire range of Ktrue , while GN modularity initially finds the correct number of communities but fails for Ktrue 15 as shown analytically in [9]. 258701-3 PHYSICAL REVIEW LETTERS PRL 100, 258701 (2008) 43 35 62 C. W. was supported by NSF No. ECS-0425850 and NIH No. 1U54CA121852. 32 100 44 27 19 55 86 13 15 week ending 27 JUNE 2008 72 37 39 60 64 28 113 77 71 18 97 76 45 93 106 90 7 104 48 33 34 88 101 3 2 49 14 107 16 87 21 66 110 38 67 40 61 46 57 96 92 114 59 98 58 63 20 65 26 31 81 103 70 91 41 17 82 11 94 108 99 105 85 50 54 10 115 89 5 24 95 75 53 6 1 51 102 83 25 12 30 4 73 29 56 80 36 42 111 47 84 68 74 22 52 78 23 9 8 69 112 109 79 FIG. 2 (color). Each of the 115 nodes represents a NCAA team and each of the 613 edges a game played in 2000 between two teams it joins. The inferred module assignments (designated by color) on the football network which recover the 12 NCAA conferences (designated by shape). Nodes 29, 43, 59, 60, 64, 81, 83, 91, 98, and 111 are misclassified and are mostly independent teams, represented by parallelograms. group in the network. We emphasize that, unlike other methods in which the number of conferences must be asserted, VB determines 12 as the most probable number of conferences automatically. Posing module detection as inference of a latent variable within a probabilistic model has a number of advantages. It clarifies what precisely is to be optimized and suggests a principled and efficient procedure for how to perform this optimization. Inferring distributions over model parameters reveals the natural scale of a given modular network, avoiding resolution limit problems. This method allows us to view a number of approaches to the problem by physicists, applied mathematicians, social scientists, and computer scientists as related subparts of a larger problem. In short, it suggests how a number of seemingly disparate methods may be recast and united. A second advantage of this work is its generalization to other models, including those designed to reveal structural features other than modularity. Finally, use of the evidence allows model selection not only among nested models, e.g., models differing only in the number of parameters, but even among models of different parametric families. The last strikes us as a natural area for progress in the statistical study of real-world networks. It is a pleasure to acknowledge useful conversations on modeling with Joel Bader and Matthew Hastings, on Monte Carlo methods for Potts models with Jonathan Goodman, with David Blei on variational methods, and with Aaron Clauset for his feedback on this manuscript [26]. 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